# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.12814858
_cell_length_b   9.82501048
_cell_length_c   46.07248118
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.28172129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4575.75356836
_cell_formula_units_Z   168
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu1  1  0.157000  0.293010  0.311192  1
  Cu  Cu2  1  0.545205  0.311524  0.301138  1
  Cu  Cu3  1  0.933712  0.331015  0.291775  1
  Cu  Cu4  1  0.157000  0.793010  0.311192  1
  Cu  Cu5  1  0.545205  0.811524  0.301138  1
  Cu  Cu6  1  0.933712  0.831015  0.291775  1
  Cu  Cu7  1  0.367867  0.076402  0.294018  1
  Cu  Cu8  1  0.755834  0.094434  0.284153  1
  Cu  Cu9  1  0.979884  0.059108  0.303030  1
  Cu  Cu10  1  0.367867  0.576402  0.294018  1
  Cu  Cu11  1  0.755834  0.594434  0.284153  1
  Cu  Cu12  1  0.979884  0.559108  0.303030  1
  Cu  Cu13  1  0.994461  0.235470  0.342285  1
  Cu  Cu14  1  0.380444  0.257840  0.331112  1
  Cu  Cu15  1  0.768819  0.276478  0.321011  1
  Cu  Cu16  1  0.994461  0.735470  0.342285  1
  Cu  Cu17  1  0.380444  0.757840  0.331112  1
  Cu  Cu18  1  0.768819  0.776478  0.321011  1
  Cu  Cu19  1  0.203684  0.022106  0.322684  1
  Cu  Cu20  1  0.592246  0.039702  0.312948  1
  Cu  Cu21  1  0.817847  0.002269  0.333926  1
  Cu  Cu22  1  0.203684  0.522106  0.322684  1
  Cu  Cu23  1  0.592246  0.539702  0.312948  1
  Cu  Cu24  1  0.817847  0.502269  0.333926  1
  Cu  Cu25  1  0.831755  0.177877  0.373313  1
  Cu  Cu26  1  0.219821  0.196514  0.362477  1
  Cu  Cu27  1  0.606620  0.216389  0.352103  1
  Cu  Cu28  1  0.831755  0.677877  0.373313  1
  Cu  Cu29  1  0.219821  0.696514  0.362477  1
  Cu  Cu30  1  0.606620  0.716389  0.352103  1
  Cu  Cu31  1  0.043516  0.962474  0.354003  1
  Cu  Cu32  1  0.430313  0.983031  0.343910  1
  Cu  Cu33  1  0.655335  0.943490  0.364648  1
  Cu  Cu34  1  0.043516  0.462474  0.354003  1
  Cu  Cu35  1  0.430313  0.483031  0.343910  1
  Cu  Cu36  1  0.655335  0.443490  0.364648  1
  Cu  Cu37  1  0.668681  0.119711  0.404590  1
  Cu  Cu38  1  0.056752  0.138517  0.394230  1
  Cu  Cu39  1  0.443763  0.158901  0.383547  1
  Cu  Cu40  1  0.668681  0.619711  0.404590  1
  Cu  Cu41  1  0.056752  0.638517  0.394230  1
  Cu  Cu42  1  0.443763  0.658901  0.383547  1
  Cu  Cu43  1  0.880531  0.905172  0.385644  1
  Cu  Cu44  1  0.267624  0.924633  0.374759  1
  Cu  Cu45  1  0.492849  0.885864  0.395844  1
  Cu  Cu46  1  0.880531  0.405172  0.385644  1
  Cu  Cu47  1  0.267624  0.424633  0.374759  1
  Cu  Cu48  1  0.492849  0.385864  0.395844  1
  Cu  Cu49  1  0.506026  0.061281  0.436027  1
  Cu  Cu50  1  0.893813  0.080566  0.425689  1
  Cu  Cu51  1  0.281363  0.099965  0.415018  1
  Cu  Cu52  1  0.506026  0.561281  0.436027  1
  Cu  Cu53  1  0.893813  0.580566  0.425689  1
  Cu  Cu54  1  0.281363  0.599965  0.415018  1
  Cu  Cu55  1  0.717902  0.846924  0.416901  1
  Cu  Cu56  1  0.105745  0.866036  0.406248  1
  Cu  Cu57  1  0.330414  0.827585  0.427196  1
  Cu  Cu58  1  0.717902  0.346924  0.416901  1
  Cu  Cu59  1  0.105745  0.366036  0.406248  1
  Cu  Cu60  1  0.330414  0.327585  0.427196  1
  Cu  Cu61  1  0.343479  0.002787  0.467475  1
  Cu  Cu62  1  0.730982  0.022347  0.457021  1
  Cu  Cu63  1  0.118756  0.041507  0.446552  1
  Cu  Cu64  1  0.343479  0.502787  0.467475  1
  Cu  Cu65  1  0.730982  0.522347  0.457021  1
  Cu  Cu66  1  0.118756  0.541507  0.446552  1
  Cu  Cu67  1  0.555248  0.788695  0.448187  1
  Cu  Cu68  1  0.943029  0.807942  0.437777  1
  Cu  Cu69  1  0.167889  0.769092  0.458629  1
  Cu  Cu70  1  0.555248  0.288695  0.448187  1
  Cu  Cu71  1  0.943029  0.307942  0.437777  1
  Cu  Cu72  1  0.167889  0.269092  0.458629  1
  Cu  Cu73  1  0.180860  0.944377  0.498914  1
  Cu  Cu74  1  0.568270  0.963971  0.488441  1
  Cu  Cu75  1  0.955973  0.983292  0.477993  1
  Cu  Cu76  1  0.180860  0.444377  0.498914  1
  Cu  Cu77  1  0.568270  0.463971  0.488441  1
  Cu  Cu78  1  0.955973  0.483292  0.477993  1
  Cu  Cu79  1  0.392642  0.730343  0.479592  1
  Cu  Cu80  1  0.780165  0.749794  0.469175  1
  Cu  Cu81  1  0.005145  0.710784  0.490078  1
  Cu  Cu82  1  0.392642  0.230343  0.479592  1
  Cu  Cu83  1  0.780165  0.249794  0.469175  1
  Cu  Cu84  1  0.005145  0.210784  0.490078  1
  Cu  Cu85  1  0.018113  0.886099  0.530295  1
  Cu  Cu86  1  0.405636  0.905549  0.519878  1
  Cu  Cu87  1  0.793133  0.925109  0.509392  1
  Cu  Cu88  1  0.018113  0.386099  0.530295  1
  Cu  Cu89  1  0.405636  0.405549  0.519878  1
  Cu  Cu90  1  0.793133  0.425109  0.509392  1
  Cu  Cu91  1  0.230008  0.671922  0.511029  1
  Cu  Cu92  1  0.617417  0.691515  0.500555  1
  Cu  Cu93  1  0.842304  0.652601  0.521477  1
  Cu  Cu94  1  0.230008  0.171922  0.511029  1
  Cu  Cu95  1  0.617417  0.191515  0.500555  1
  Cu  Cu96  1  0.842304  0.152601  0.521477  1
  Cu  Cu97  1  0.855248  0.827951  0.561693  1
  Cu  Cu98  1  0.243029  0.847197  0.551283  1
  Cu  Cu99  1  0.630389  0.866800  0.540840  1
  Cu  Cu100  1  0.855248  0.327951  0.561693  1
  Cu  Cu101  1  0.243029  0.347197  0.551283  1
  Cu  Cu102  1  0.630389  0.366800  0.540840  1
  Cu  Cu103  1  0.067296  0.613545  0.542449  1
  Cu  Cu104  1  0.454798  0.633106  0.531994  1
  Cu  Cu105  1  0.679522  0.594386  0.552918  1
  Cu  Cu106  1  0.067296  0.113545  0.542449  1
  Cu  Cu107  1  0.454798  0.133106  0.531994  1
  Cu  Cu108  1  0.679522  0.094386  0.552918  1
  Cu  Cu109  1  0.692533  0.769857  0.593222  1
  Cu  Cu110  1  0.080376  0.788969  0.582569  1
  Cu  Cu111  1  0.467864  0.808307  0.572274  1
  Cu  Cu112  1  0.692533  0.269857  0.593222  1
  Cu  Cu113  1  0.080376  0.288969  0.582569  1
  Cu  Cu114  1  0.467864  0.308307  0.572274  1
  Cu  Cu115  1  0.904465  0.555327  0.573781  1
  Cu  Cu116  1  0.292252  0.574611  0.563443  1
  Cu  Cu117  1  0.516915  0.535927  0.584452  1
  Cu  Cu118  1  0.904465  0.055327  0.573781  1
  Cu  Cu119  1  0.292252  0.074611  0.563443  1
  Cu  Cu120  1  0.516915  0.035927  0.584452  1
  Cu  Cu121  1  0.530654  0.711260  0.624711  1
  Cu  Cu122  1  0.917747  0.730720  0.613825  1
  Cu  Cu123  1  0.305429  0.750028  0.603626  1
  Cu  Cu124  1  0.530654  0.211260  0.624711  1
  Cu  Cu125  1  0.917747  0.230720  0.613825  1
  Cu  Cu126  1  0.305429  0.250028  0.603626  1
  Cu  Cu127  1  0.741526  0.497375  0.605239  1
  Cu  Cu128  1  0.129597  0.516182  0.594880  1
  Cu  Cu129  1  0.354515  0.476991  0.615923  1
  Cu  Cu130  1  0.741526  0.997375  0.605239  1
  Cu  Cu131  1  0.129597  0.016182  0.594880  1
  Cu  Cu132  1  0.354515  0.976991  0.615923  1
  Cu  Cu133  1  0.367964  0.652861  0.655560  1
  Cu  Cu134  1  0.754762  0.673418  0.645467  1
  Cu  Cu135  1  0.142943  0.692403  0.634822  1
  Cu  Cu136  1  0.367964  0.152861  0.655560  1
  Cu  Cu137  1  0.754762  0.173418  0.645467  1
  Cu  Cu138  1  0.142943  0.192403  0.634822  1
  Cu  Cu139  1  0.578457  0.439378  0.636993  1
  Cu  Cu140  1  0.966523  0.458016  0.626156  1
  Cu  Cu141  1  0.191658  0.419503  0.647367  1
  Cu  Cu142  1  0.578457  0.939378  0.636993  1
  Cu  Cu143  1  0.966523  0.958016  0.626156  1
  Cu  Cu144  1  0.191658  0.919503  0.647367  1
  Cu  Cu145  1  0.206032  0.596190  0.686522  1
  Cu  Cu146  1  0.594594  0.613787  0.676786  1
  Cu  Cu147  1  0.980430  0.633624  0.665544  1
  Cu  Cu148  1  0.206032  0.096190  0.686522  1
  Cu  Cu149  1  0.594594  0.113787  0.676786  1
  Cu  Cu150  1  0.980430  0.133624  0.665544  1
  Cu  Cu151  1  0.417834  0.378052  0.668358  1
  Cu  Cu152  1  0.803817  0.400423  0.657185  1
  Cu  Cu153  1  0.029459  0.359414  0.678459  1
  Cu  Cu154  1  0.417834  0.878052  0.668358  1
  Cu  Cu155  1  0.803817  0.900423  0.657185  1
  Cu  Cu156  1  0.029459  0.859414  0.678459  1
  Cu  Cu157  1  0.042444  0.541459  0.715317  1
  Cu  Cu158  1  0.430410  0.559491  0.705452  1
  Cu  Cu159  1  0.818394  0.576785  0.696440  1
  Cu  Cu160  1  0.042444  0.041459  0.715317  1
  Cu  Cu161  1  0.430410  0.059491  0.705452  1
  Cu  Cu162  1  0.818394  0.076785  0.696440  1
  Cu  Cu163  1  0.253072  0.324369  0.698332  1
  Cu  Cu164  1  0.641278  0.342883  0.688278  1
  Cu  Cu165  1  0.864566  0.304877  0.707695  1
  Cu  Cu166  1  0.253072  0.824369  0.698332  1
  Cu  Cu167  1  0.641278  0.842883  0.688278  1
  Cu  Cu168  1  0.864566  0.804877  0.707695  1
